2-[4-(2-ethylbutoxymethyl)phenyl]propanoic acid

C16H24O3 — CID 114208234

IUPAC2-[4-(2-ethylbutoxymethyl)phenyl]propanoic acid
SMILESCCC(CC)COCc1ccc(C(C)C(=O)O)cc1
InChIInChI=1S/C16H24O3/c1-4-13(5-2)10-19-11-14-6-8-15(9-7-14)12(3)16(17)18/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,17,18)
InChIKeyGVPRGDXNPFEOTE-UHFFFAOYSA-N
MW264.37 g/mol
LogP3.83
Rot. Bonds8

About 2-[4-(2-ethylbutoxymethyl)phenyl]propanoic acid

2-[4-(2-ethylbutoxymethyl)phenyl]propanoic acid (PubChem CID 114208234) has the molecular formula C16H24O3 and a molecular weight of 264.37 g/mol. Its IUPAC name is 2-[4-(2-ethylbutoxymethyl)phenyl]propanoic acid.

Molecular Properties

Compound Name2-[4-(2-ethylbutoxymethyl)phenyl]propanoic acid
PubChem CID114208234
Molecular FormulaC16H24O3
Molecular Weight264.37 g/mol
Exact Mass264.17
IUPAC Name2-[4-(2-ethylbutoxymethyl)phenyl]propanoic acid
SMILESCCC(CC)COCc1ccc(C(C)C(=O)O)cc1
InChIInChI=1S/C16H24O3/c1-4-13(5-2)10-19-11-14-6-8-15(9-7-14)12(3)16(17)18/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,17,18)
InChIKeyGVPRGDXNPFEOTE-UHFFFAOYSA-N
XLogP3.83
TPSA46.53 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 53.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-[4-(ethoxymethyl)phenyl]propanoic acid
CID 83883711
2-[4-[(4-bromophenyl)methoxymethyl]phenyl]propanoic acid
CID 105345020
2-[4-[(2-ethylbutylamino)methyl]phenyl]propanoic acid
CID 103267076
2-[4-(cyclopentylmethoxymethyl)phenyl]propanoic acid
CID 105344994
2-[4-(1-carboxyethyl)phenyl]propanoic acid
CID 601009
2-(4-propylphenyl)propanoic acid
CID 14880971
2-[4-[[ethyl(2-ethylbutyl)amino]methyl]phenyl]propanoic acid
CID 105345788
2-[4-(1-phenylethoxymethyl)phenyl]propanoic acid
CID 105344853
(2R)-3-[4-[(1R)-1-carboxyethyl]phenyl]-2-methylpropanoic acid
CID 14367773
(2R)-2-[4-(sulfanylmethyl)phenyl]propanoic acid
CID 141071561
2-[4-(cyclobutyloxymethyl)phenyl]propanoic acid
CID 105344947
ethoxyethane;2-phenylpropanoic acid
CID 174766454

Frequently Asked Questions

What is the IUPAC name of 2-[4-(2-ethylbutoxymethyl)phenyl]propanoic acid?
The IUPAC name of 2-[4-(2-ethylbutoxymethyl)phenyl]propanoic acid (CID 114208234) is 2-[4-(2-ethylbutoxymethyl)phenyl]propanoic acid.
What is the SMILES notation for 2-[4-(2-ethylbutoxymethyl)phenyl]propanoic acid?
The canonical SMILES for 2-[4-(2-ethylbutoxymethyl)phenyl]propanoic acid is CCC(CC)COCc1ccc(C(C)C(=O)O)cc1.
What is the InChIKey of 2-[4-(2-ethylbutoxymethyl)phenyl]propanoic acid?
The InChIKey is GVPRGDXNPFEOTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24O3/c1-4-13(5-2)10-19-11-14-6-8-15(9-7-14)12(3)16(17)18/h6-9,12-13H,4-5,10-11H2,1-3H3,(H,17,18).
What are the key properties of 2-[4-(2-ethylbutoxymethyl)phenyl]propanoic acid?
2-[4-(2-ethylbutoxymethyl)phenyl]propanoic acid has a molecular weight of 264.37 g/mol, XLogP of 3.83, 8 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2-ethylbutoxymethyl)phenyl]propanoic acid is sourced from PubChem (CID 114208234), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).